3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid

C12H22N2O3 — CID 113342121

IUPAC3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
SMILESCC1CCNC(C(=O)NC(C)(C)CC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-8-4-5-13-9(6-8)11(17)14-12(2,3)7-10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyFFASSNVAQQRSBH-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.74
Rot. Bonds4

About 3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid

3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid (PubChem CID 113342121) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
PubChem CID113342121
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
SMILESCC1CCNC(C(=O)NC(C)(C)CC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-8-4-5-13-9(6-8)11(17)14-12(2,3)7-10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyFFASSNVAQQRSBH-UHFFFAOYSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-2-carboxamide
CID 114423167
3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 114429130
4-methylpiperidine-2-carbohydrazide
CID 114424068
N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide
CID 103461667
2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 114424387
4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
CID 114422931
4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid
CID 114428891
4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
CID 107475534
4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide
CID 106186997
N',N',4-trimethylpiperidine-2-carbohydrazide
CID 114424419
4-methyl-N-methylsulfonylpiperidine-2-carboxamide
CID 103287766
(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid (CID 113342121) is 3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid is CC1CCNC(C(=O)NC(C)(C)CC(=O)O)C1.
What is the InChIKey of 3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid?
The InChIKey is FFASSNVAQQRSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8-4-5-13-9(6-8)11(17)14-12(2,3)7-10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid?
3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 113342121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).